[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](3-methylthiophen-2-yl)methanone
[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SB32-0937 |
| Compound Name: | [rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl](3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | Cc1ccsc1C(N1C[C@@H](COC)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4916 |
| logD: | 3.4872 |
| logSw: | -3.7232 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.075 |
| InChI Key: | FCDHWKLBKMRGBT-JKSUJKDBSA-N |